# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Hayakawa-S-Xu-H--Fe-Ni-Al # implementation = 2024--Hayakawa-S--Fe-Ni-Al--LAMMPS--ipr1 # composition = AlFe2Ni # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2025-12-17 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 4.641836383e+02 4.641836383e+02 1.12 nan nan 1.14 3.972276788e+02 3.972276788e+02 1.16 3.698903726e+02 3.698903726e+02 1.18 3.456849902e+02 3.456849902e+02 1.20 3.240578940e+02 3.240578940e+02 1.22 3.046378626e+02 3.046378626e+02 1.24 2.871486255e+02 2.871486255e+02 1.26 2.713806538e+02 2.713806538e+02 1.28 2.571422752e+02 2.571422752e+02 1.30 2.442234041e+02 2.442234041e+02 1.32 2.324179411e+02 2.324179411e+02 1.34 2.215641188e+02 2.215641188e+02 1.36 2.115194896e+02 2.115194896e+02 1.38 2.021584462e+02 2.021584462e+02 1.40 1.933783459e+02 1.933783459e+02 1.42 1.850885709e+02 1.850885709e+02 1.44 1.772064780e+02 1.772064780e+02 1.46 1.696551309e+02 1.696551309e+02 1.48 1.623584153e+02 1.623584153e+02 1.50 1.552439530e+02 1.552439530e+02 1.52 1.482517041e+02 1.482517041e+02 1.54 1.413321355e+02 1.413321355e+02 1.56 1.344502768e+02 1.344502768e+02 1.58 1.275920203e+02 1.275920203e+02 1.60 1.207443550e+02 1.207443550e+02 1.62 1.138969398e+02 1.138969398e+02 1.64 1.069771376e+02 1.069771376e+02 1.66 9.973710802e+01 9.973710802e+01 1.68 9.227900699e+01 9.227900699e+01 1.70 8.474256341e+01 8.474256341e+01 1.72 7.726257123e+01 7.726257123e+01 1.74 6.993581311e+01 6.993581311e+01 1.76 6.280786746e+01 6.280786746e+01 1.78 5.592416369e+01 5.592416369e+01 1.80 4.933123967e+01 4.933123967e+01 1.82 4.307401414e+01 4.307401414e+01 1.84 3.718318575e+01 3.718318575e+01 1.86 3.169148976e+01 3.169148976e+01 1.88 2.663322551e+01 2.663322551e+01 1.90 2.203384029e+01 2.203384029e+01 1.92 1.790738459e+01 1.790738459e+01 1.94 1.425579803e+01 1.425579803e+01 1.96 1.107006811e+01 1.107006811e+01 1.98 8.330777879e+00 8.330777879e+00 2.00 6.009632052e+00 6.009632052e+00 2.02 4.071750044e+00 4.071750044e+00 2.04 2.477792173e+00 2.477792173e+00 2.06 1.184795625e+00 1.184795625e+00 2.08 1.489824099e-01 1.489824099e-01 2.10 -6.720568394e-01 -6.720568394e-01 2.12 -1.332170883e+00 -1.332170883e+00 2.14 -1.871330760e+00 -1.871330760e+00 2.16 -2.308390934e+00 -2.308390934e+00 2.18 -2.661125674e+00 -2.661125674e+00 2.20 -2.945493662e+00 -2.945493662e+00 2.22 -3.175907701e+00 -3.175907701e+00 2.24 -3.365922865e+00 -3.365922865e+00 2.26 -3.528270461e+00 -3.528270461e+00 2.28 -3.671519111e+00 -3.671519111e+00 2.30 -3.799651940e+00 -3.799651940e+00 2.32 -3.915949451e+00 -3.915949451e+00 2.34 -4.021979307e+00 -4.021979307e+00 2.36 -4.118180580e+00 -4.118180580e+00 2.38 -4.203499464e+00 -4.203499464e+00 2.40 -4.275801676e+00 -4.275801676e+00 2.42 -4.333463874e+00 -4.333463874e+00 2.44 -4.376968164e+00 -4.376968164e+00 2.46 -4.407438628e+00 -4.407438628e+00 2.48 -4.426157123e+00 -4.426157123e+00 2.50 -4.434390675e+00 -4.434390675e+00 2.52 -4.433315644e+00 -4.433315644e+00 2.54 -4.424177549e+00 -4.424177549e+00 2.56 -4.408380831e+00 -4.408380831e+00 2.58 -4.387211712e+00 -4.387211712e+00 2.60 -4.361815938e+00 -4.361815938e+00 2.62 -4.333135192e+00 -4.333135192e+00 2.64 -4.301707588e+00 -4.301707588e+00 2.66 -4.267593131e+00 -4.267593131e+00 2.68 -4.230550156e+00 -4.230550156e+00 2.70 -4.190330459e+00 -4.190330459e+00 2.72 -4.146741870e+00 -4.146741870e+00 2.74 -4.099706500e+00 -4.099706500e+00 2.76 -4.049211875e+00 -4.049211875e+00 2.78 -3.995260198e+00 -3.995260198e+00 2.80 -3.937864403e+00 -3.937864403e+00 2.82 -3.877046475e+00 -3.877046475e+00 2.84 -3.812839527e+00 -3.812839527e+00 2.86 -3.745299608e+00 -3.745299608e+00 2.88 -3.674603471e+00 -3.674603471e+00 2.90 -3.601223032e+00 -3.601223032e+00 2.92 -3.525598890e+00 -3.525598890e+00 2.94 -3.448047030e+00 -3.448047030e+00 2.96 -3.368789543e+00 -3.368789543e+00 2.98 -3.287996409e+00 -3.287996409e+00 3.00 -3.205844840e+00 -3.205844840e+00 3.02 -3.122596833e+00 -3.122596833e+00 3.04 -3.038674835e+00 -3.038674835e+00 3.06 -2.954664350e+00 -2.954664350e+00 3.08 -2.871211956e+00 -2.871211956e+00 3.10 -2.788901700e+00 -2.788901700e+00 3.12 -2.708207165e+00 -2.708207165e+00 3.14 -2.629485330e+00 -2.629485330e+00 3.16 -2.553008405e+00 -2.553008405e+00 3.18 -2.478974455e+00 -2.478974455e+00 3.20 -2.407517377e+00 -2.407517377e+00 3.22 -2.338715173e+00 -2.338715173e+00 3.24 -2.272601955e+00 -2.272601955e+00 3.26 -2.209180641e+00 -2.209180641e+00 3.28 -2.148433398e+00 -2.148433398e+00 3.30 -2.090327066e+00 -2.090327066e+00 3.32 -2.034819985e+00 -2.034819985e+00 3.34 -1.981848080e+00 -1.981848080e+00 3.36 -1.931237909e+00 -1.931237909e+00 3.38 -1.882787271e+00 -1.882787271e+00 3.40 -1.836307776e+00 -1.836307776e+00 3.42 -1.791624283e+00 -1.791624283e+00 3.44 -1.748571294e+00 -1.748571294e+00 3.46 -1.706992814e+00 -1.706992814e+00 3.48 -1.666742341e+00 -1.666742341e+00 3.50 -1.627682639e+00 -1.627682639e+00 3.52 -1.589684740e+00 -1.589684740e+00 3.54 -1.552624666e+00 -1.552624666e+00 3.56 -1.516385465e+00 -1.516385465e+00 3.58 -1.480896999e+00 -1.480896999e+00 3.60 -1.446153059e+00 -1.446153059e+00 3.62 -1.412143441e+00 -1.412143441e+00 3.64 -1.378858870e+00 -1.378858870e+00 3.66 -1.346296846e+00 -1.346296846e+00 3.68 -1.314463925e+00 -1.314463925e+00 3.70 -1.283371631e+00 -1.283371631e+00 3.72 -1.253034001e+00 -1.253034001e+00 3.74 -1.223466888e+00 -1.223466888e+00 3.76 -1.194687818e+00 -1.194687818e+00 3.78 -1.166714905e+00 -1.166714905e+00 3.80 -1.139563689e+00 -1.139563689e+00 3.82 -1.113260593e+00 -1.113260593e+00 3.84 -1.087803104e+00 -1.087803104e+00 3.86 -1.063176565e+00 -1.063176565e+00 3.88 -1.039420272e+00 -1.039420272e+00 3.90 -1.016565209e+00 -1.016565209e+00 3.92 -9.945387608e-01 -9.945387608e-01 3.94 -9.732632331e-01 -9.732632331e-01 3.96 -9.527201350e-01 -9.527201350e-01 3.98 -9.329116960e-01 -9.329116960e-01 4.00 -9.138368367e-01 -9.138368367e-01 4.02 -8.954805659e-01 -8.954805659e-01 4.04 -8.778063962e-01 -8.778063962e-01 4.06 -8.607577979e-01 -8.607577979e-01 4.08 -8.442618475e-01 -8.442618475e-01 4.10 -8.282322044e-01 -8.282322044e-01 4.12 -8.125990056e-01 -8.125990056e-01 4.14 -7.973343564e-01 -7.973343564e-01 4.16 -7.824254318e-01 -7.824254318e-01 4.18 -7.678571947e-01 -7.678571947e-01 4.20 -7.536137942e-01 -7.536137942e-01 4.22 -7.396794565e-01 -7.396794565e-01 4.24 -7.260389907e-01 -7.260389907e-01 4.26 -7.126780521e-01 -7.126780521e-01 4.28 -6.995832518e-01 -6.995832518e-01 4.30 -6.867421878e-01 -6.867421878e-01 4.32 -6.741434309e-01 -6.741434309e-01 4.34 -6.617764964e-01 -6.617764964e-01 4.36 -6.496318235e-01 -6.496318235e-01 4.38 -6.377015871e-01 -6.377015871e-01 4.40 -6.259802717e-01 -6.259802717e-01 4.42 -6.144631080e-01 -6.144631080e-01 4.44 -6.031459154e-01 -6.031459154e-01 4.46 -5.920251400e-01 -5.920251400e-01 4.48 -5.810979078e-01 -5.810979078e-01 4.50 -5.703620061e-01 -5.703620061e-01 4.52 -5.598152928e-01 -5.598152928e-01 4.54 -5.494551794e-01 -5.494551794e-01 4.56 -5.392786364e-01 -5.392786364e-01 4.58 -5.292822244e-01 -5.292822244e-01 4.60 -5.194621009e-01 -5.194621009e-01 4.62 -5.098141321e-01 -5.098141321e-01 4.64 -5.003339444e-01 -5.003339444e-01 4.66 -4.910169328e-01 -4.910169328e-01 4.68 -4.818583664e-01 -4.818583664e-01 4.70 -4.728528616e-01 -4.728528616e-01 4.72 -4.639952379e-01 -4.639952379e-01 4.74 -4.552806127e-01 -4.552806127e-01 4.76 -4.467043213e-01 -4.467043213e-01 4.78 -4.382597972e-01 -4.382597972e-01 4.80 -4.299399239e-01 -4.299399239e-01 4.82 -4.217405316e-01 -4.217405316e-01 4.84 -4.136603578e-01 -4.136603578e-01 4.86 -4.056987736e-01 -4.056987736e-01 4.88 -3.978447959e-01 -3.978447959e-01 4.90 -3.900820073e-01 -3.900820073e-01 4.92 -3.823988422e-01 -3.823988422e-01 4.94 -3.747916601e-01 -3.747916601e-01 4.96 -3.672739692e-01 -3.672739692e-01 4.98 -3.598576124e-01 -3.598576124e-01 5.00 -3.525559500e-01 -3.525559500e-01 5.02 -3.453709671e-01 -3.453709671e-01 5.04 -3.382612271e-01 -3.382612271e-01 5.06 -3.311961225e-01 -3.311961225e-01 5.08 -3.241556142e-01 -3.241556142e-01 5.10 -3.171225838e-01 -3.171225838e-01 5.12 -3.100928190e-01 -3.100928190e-01 5.14 -3.030705575e-01 -3.030705575e-01 5.16 -2.960627833e-01 -2.960627833e-01 5.18 -2.890805961e-01 -2.890805961e-01 5.20 -2.821378386e-01 -2.821378386e-01 5.22 -2.752395161e-01 -2.752395161e-01 5.24 -2.683917516e-01 -2.683917516e-01 5.26 -2.616022475e-01 -2.616022475e-01 5.28 -2.548763929e-01 -2.548763929e-01 5.30 -2.482011476e-01 -2.482011476e-01 5.32 -2.415948706e-01 -2.415948706e-01 5.34 -2.350793879e-01 -2.350793879e-01 5.36 -2.286704441e-01 -2.286704441e-01 5.38 -2.223700289e-01 -2.223700289e-01 5.40 -2.161658008e-01 -2.161658008e-01 5.42 -2.100377753e-01 -2.100377753e-01 5.44 -2.039883392e-01 -2.039883392e-01 5.46 -1.980336809e-01 -1.980336809e-01 5.48 -1.922151037e-01 -1.922151037e-01 5.50 -1.865365064e-01 -1.865365064e-01 5.52 -1.809889968e-01 -1.809889968e-01 5.54 -1.754673193e-01 -1.754673193e-01 5.56 -1.699165132e-01 -1.699165132e-01 5.58 -1.642635004e-01 -1.642635004e-01 5.60 -1.585243166e-01 -1.585243166e-01 5.62 -1.528789880e-01 -1.528789880e-01 5.64 -1.474107723e-01 -1.474107723e-01 5.66 -1.422833900e-01 -1.422833900e-01 5.68 -1.376865621e-01 -1.376865621e-01 5.70 -1.334950314e-01 -1.334950314e-01 5.72 -1.294950926e-01 -1.294950926e-01 5.74 -1.255588800e-01 -1.255588800e-01 5.76 -1.215610385e-01 -1.215610385e-01 5.78 -1.172496894e-01 -1.172496894e-01 5.80 -1.124590674e-01 -1.124590674e-01 5.82 -1.072129910e-01 -1.072129910e-01 5.84 -1.016071325e-01 -1.016071325e-01 5.86 -9.570244578e-02 -9.570244578e-02 5.88 -8.956550358e-02 -8.956550358e-02 5.90 -8.325113789e-02 -8.325113789e-02 5.92 -7.683395751e-02 -7.683395751e-02 5.94 -7.048217438e-02 -7.048217438e-02 5.96 -6.432462238e-02 -6.432462238e-02 5.98 -5.845085179e-02 -5.845085179e-02 6.00 -5.291954749e-02 -5.291954749e-02